[1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-3-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-propan-2-yl]carbamoyloxymethyl ethanoate

Systemtic Name: [1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-3-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-propan-2-yl]carbamoyloxymethyl ethanoate Openeye Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxo-1-[[2-oxo-2-(3-pyridylmethylamino)ethyl]sulfanylmethyl]ethyl]carbamoyloxymethyl acetate CAS Name: acetic acid [[[1-(2-cyano-1-pyrrolidinyl)-1-oxo-3-[[2-oxo-2-(3-pyridinylmethylamino)ethyl]thio]propan-2-yl]amino]-oxomethoxy]methyl ester IUPAC Name: [1-(2-cyanopyrrolidin-1-yl)-1-oxo-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylpropan-2-yl]carbamoyloxymethyl acetate Traditional Name: acetic acid [2-(2-cyanopyrrolidino)-2-keto-1-[[[2-keto-2-(3-pyridylmethylamino)ethyl]thio]methyl]ethyl]carbamoyloxymethyl ester Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)NC(CSCC(=O)NCC1=CN=CC=C1)C(=O)N2CCCC2C#N

Isomeric SMILES

CC(=O)OCOC(=O)NC(CSCC(=O)NCC1=CN=CC=C1)C(=O)N2CCCC2C#N

InChI

InChI=1S/C20H25N5O6S/c1-14(26)30-13-31-20(29)24-17(19(28)25-7-3-5-16(25)8-21)11-32-12-18(27)23-10-15-4-2-6-22-9-15/h2,4,6,9,16-17H,3,5,7,10-13H2,1H3,(H,23,27)(H,24,29)